CID 9901086

Cp-809101

Structural Information

Molecular Formula

C₁₅H₁₇ClN₄O

SMILES

C1CN(CCN1)C2=CN=CC(=N2)OCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C15H17ClN4O/c16-13-3-1-2-12(8-13)11-21-15-10-18-9-14(19-15)20-6-4-17-5-7-20/h1-3,8-10,17H,4-7,11H2

InChIKey

PCWGGOVOEWHPMG-UHFFFAOYSA-N

Compound name

2-[(3-chlorophenyl)methoxy]-6-piperazin-1-ylpyrazine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 48
Patents: 304.1091 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	305.11638	170.1
[M+Na]+	327.09832	176.3
[M-H]-	303.10182	171.5
[M+NH4]+	322.14292	178.6
[M+K]+	343.07226	169.2
[M+H-H2O]+	287.10636	158.1
[M+HCOO]-	349.10730	179.3
[M+CH3COO]-	363.12295	178.2
[M+Na-2H]-	325.08377	174.5
[M]+	304.10855	166.6
[M]-	304.10965	166.6

Literature stripe

literature stripe

Patent stripe

patents stripe